CID 11018931

2-(2-chloroethoxy)acetamide

Structural Information

Molecular Formula

C₄H₈ClNO₂

SMILES

C(CCl)OCC(=O)N

InChI

InChI=1S/C4H8ClNO2/c5-1-2-8-3-4(6)7/h1-3H2,(H2,6,7)

InChIKey

KQHRCXCLILUNBX-UHFFFAOYSA-N

Compound name

2-(2-chloroethoxy)acetamide

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 192
Patents: 137.02435 Da
Monoisotopic Mass: -0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	138.031626	124.6
[M+Na]+	160.013568	132.6
[M-H]-	136.017074	124.5
[M+NH4]+	155.058173	146.6
[M+K]+	175.987508	131.0
[M+H-H2O]+	120.021610	121.0
[M+HCOO]-	182.022551	144.6
[M+CH3COO]-	196.038201	173.0
[M+Na-2H]-	157.999016	130.2
[M]+	137.02380142	126.6
[M]-	137.02489858	126.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe